Information card for entry 1555212

Structure parameters

• Formula: C24 H24 O3
• Calculated formula: C24 H24 O3
• SMILES: O(C(=O)C12Cc3ccccc3C1=C(C1(C2)CCOCC1)c1ccccc1)C
• Title of publication: Photocatalytic decarboxylative [2 + 2 + 1] annulation of 1,6-enynes with N-hydroxyphthalimide esters for the synthesis of indene-containing polycyclic compounds
• Authors of publication: Jiao, Meng-Jie; Liu, Dan; Hu, Xiu-Qin; Xu, Peng-Fei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 3834
• a: 10.0558 ± 0.0007 Å
• b: 10.1395 ± 0.0005 Å
• c: 18.5575 ± 0.001 Å
• α: 90°
• β: 98.819 ± 0.006°
• γ: 90°
• Cell volume: 1869.77 ± 0.19 ų
• Cell temperature: 292.9 ± 0.1 K
• Ambient diffraction temperature: 292.9 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2683
• Weighted residual factors for all reflections included in the refinement: 0.3231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No